Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5440027 | Corrosion Science | 2017 | 52 Pages |
Abstract
Six amino acids were evaluated as corrosion inhibitors for carbon steel and copper in 0.5 mol Lâ1 H2SO4 solution by potentiodynamic polarization and electrochemical impedance techniques allied to Density Functional Theory (DFT) and Monte Carlo computations The corrosion inhibitor rankings were: Arg > Gln > Asn > Met > Cys > Ser, for copper, and Met > Cys > Ser > Arg > Gln > Asn, for carbon steel. The DFT approach failed to explain the corrosion inhibition rating based on the HOMO and LUMO energies of the isolated amino acid molecules, while the simpler classical Monte Carlo approach, performed considering the interaction energies between the corrosion inhibitor and the metallic substrate, was successful.
Related Topics
Physical Sciences and Engineering
Materials Science
Ceramics and Composites
Authors
Glaydson L.F. Mendonça, Stefane N. Costa, Valder N. Freire, Paulo N.S. Casciano, Adriana N. Correia, Pedro de Lima-Neto,